SCHEMBL1086487

SCHEMBL1086487

O=C(S)N1CCC2(CC1)CN(Cc1cccc(Br)c1)C(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
FAAH O00519 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
MAOB P27338 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1086125 0.90 KDM4E (0.45) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL4256335 0.89 SIRT2 (0.42) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086488 0.87 KDM4E (0.42) SIRT2SIRT1KDM4ETACR2TACR1
Beclamide SCHEMBL1086327 0.86 KDM4E (0.38) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL4509921 0.85 KDM4E (0.46) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086118 0.85 ALDH1A1 (0.47) KDM4ESMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1086448 0.85 TACR1 (0.40) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086353 0.84 SIRT2 (0.45) SIRT2SIRT1TACR2TACR1FAAH
SCHEMBL1086391 0.84 MEN1 (0.50) SIRT2SIRT1KDM4ETACR2TACR1
SCHEMBL1086830 0.84 CCR8 (0.46) KDM4ESMN1; SMN2TDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US claimed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC SIRT2 205/4885SIRT1 92/4885KDM4E 2366/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.